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(3,4,5-trioctadecoxyphenyl)methyl 5-(3-nitrophenyl)pyridine-3-carboxylate
(3,4,5-trioctadecoxyphenyl)methyl 5-(3-nitrophenyl)pyridine-3-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CN=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-]
Isomeric SMILES
CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CN=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C73H122N2O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55-79-70-58-65(64-82-73(76)68-60-67(62-74-63-68)66-53-52-54-69(61-66)75(77)78)59-71(80-56-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)72(70)81-57-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h52-54,58-63H,4-51,55-57,64H2,1-3H3
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